formic acid;4-methyl-1,3-thiazol-2-amine

C5H8N2O2S — CID 3048486

IUPACformic acid;4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(N)n1.O=CO
InChIInChI=1S/C4H6N2S.CH2O2/c1-3-2-7-4(5)6-3;2-1-3/h2H,1H3,(H2,5,6);1H,(H,2,3)
InChIKeyOCHGUHMHYXVVJX-UHFFFAOYSA-N
MW160.20 g/mol
LogP0.73
Rot. Bonds

About formic acid;4-methyl-1,3-thiazol-2-amine

formic acid;4-methyl-1,3-thiazol-2-amine (PubChem CID 3048486) has the molecular formula C5H8N2O2S and a molecular weight of 160.20 g/mol. Its IUPAC name is formic acid;4-methyl-1,3-thiazol-2-amine.

Molecular Properties

Compound Nameformic acid;4-methyl-1,3-thiazol-2-amine
PubChem CID3048486
Molecular FormulaC5H8N2O2S
Molecular Weight160.20 g/mol
Exact Mass160.03
IUPAC Nameformic acid;4-methyl-1,3-thiazol-2-amine
SMILESCc1csc(N)n1.O=CO
InChIInChI=1S/C4H6N2S.CH2O2/c1-3-2-7-4(5)6-3;2-1-3/h2H,1H3,(H2,5,6);1H,(H,2,3)
InChIKeyOCHGUHMHYXVVJX-UHFFFAOYSA-N
XLogP0.73
TPSA76.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.20
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-Amino-4-methylthiazole
CID 74143
2-{[(2-Amino-1,3-thiazol-4-yl)methyl]sulfanyl}acetic acid
CID 38996181
4-(Trideuteriomethyl)-1,3-thiazol-2-amine
CID 45785356
4-(Methylsulfanylmethyl)-1,3-thiazol-2-amine
CID 319548
[4-(Fluoromethyl)-1,3-thiazol-2-yl]carbamic acid
CID 87536540
4-(Difluoromethyl)thiazol-2-amine 2,2,2-trifluoroacetate
CID 134611671
methyl N-(4-methyl-1,3-thiazol-2-yl)carbamate
CID 4345486
CID 5476747
CID 5476747
4-Methyl-1,3-thiazol-2-amine;hydrate
CID 20077265
Actinium;(4-methyl-1,3-thiazol-2-yl)azanide
CID 21353975
Ethyl 2-(((2-aminothiazol-4-yl)methyl)thio)acetate
CID 43409799
3-(2-Amino-thiazol-4-ylmethylsulfanyl)-propionic acid methyl ester
CID 43617626

Frequently Asked Questions

What is the IUPAC name of formic acid;4-methyl-1,3-thiazol-2-amine?
The IUPAC name of formic acid;4-methyl-1,3-thiazol-2-amine (CID 3048486) is formic acid;4-methyl-1,3-thiazol-2-amine.
What is the SMILES notation for formic acid;4-methyl-1,3-thiazol-2-amine?
The canonical SMILES for formic acid;4-methyl-1,3-thiazol-2-amine is Cc1csc(N)n1.O=CO.
What is the InChIKey of formic acid;4-methyl-1,3-thiazol-2-amine?
The InChIKey is OCHGUHMHYXVVJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N2S.CH2O2/c1-3-2-7-4(5)6-3;2-1-3/h2H,1H3,(H2,5,6);1H,(H,2,3).
What are the key properties of formic acid;4-methyl-1,3-thiazol-2-amine?
formic acid;4-methyl-1,3-thiazol-2-amine has a molecular weight of 160.20 g/mol, XLogP of 0.73, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for formic acid;4-methyl-1,3-thiazol-2-amine is sourced from PubChem (CID 3048486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).